Transformation Rule-Based Molecular Evolution for Automatic Gasoline Molecule Design

Automatic molecular design on computers is an emerging technology for the determination of optimal fuel molecules. We developed a computer-aided molecular design framework through a transformation rule-based molecular evolution method. The reaction rule was used as the elementary step to change the molecular structure. A molecule can achieve structural variation continuously using a series of reaction rules. The finding of the optimal molecule can be seen as the evolution of structure in the chemical space, which was guided by using a global optimization algorithm to select the best reaction routine. We showed that the optimized molecule is independent of the input initial structure, proving the robustness of the method. We then applied the method to design gasoline molecules for motor and aviation gasoline. The designed molecules can not only serve as competitive candidate components for high-quality gasoline, but also accelerate the synthesis rate of new molecules in the laboratory.

A Transformation-Based Quantum Physical Synthesis Approach for Nearest-Neighbor Architectures

The physical synthesis concept for quantum circuits, the interaction between synthesis and physical design processes, was first introduced in our previous work. This concept inspires us to propose some techniques that can minimize the number of extra inserted SWAP operations required to run a circuit on a nearest-neighbor architecture. Minimizing the number of SWAP operations potentially decreases the latency and error probability of a quantum circuit. Focusing on this concept, we present a physical synthesis technique based on transformation rules to decrease the number of SWAP operations in nearest-neighbor architectures. After the qubits of a circuit are mapped onto the physical qubits provided by the target architecture, our procedure is fed by this mapping information. Our method uses the obtained placement and scheduling information to apply some transformation rules to the original netlist to decrease the number of extra SWAP gates required for running the circuit on the architecture. We follow two policies in applying a transformation rule, greedy and simulated-annealing-based policies. Simulation results show that the proposed technique decreases the average number of extra SWAP operations by about 20.6% and 24.1% based on greedy and simulated-annealing-based policies, respectively, compared with the best in the literature.

Dynamic Scheduling Algorithm in Cyber Mimic Defense Architecture of Volunteer Computing

Volunteer computing uses computers volunteered by the general public to do distributed scientific computing. Volunteer computing is being used in high-energy physics, molecular biology, medicine, astrophysics, climate study, and other areas. These projects have attained unprecedented computing power. However, with the development of information technology, the traditional defense system cannot deal with the unknown security problems of volunteer computing . At the same time, Cyber Mimic Defense (CMD) can defend the unknown attack behavior through its three characteristics: dynamic, heterogeneous, and redundant. As an important part of the CMD, the dynamic scheduling algorithm realizes the dynamic change of the service centralized executor, which can enusre the security and reliability of CMD of volunteer computing . Aiming at the problems of passive scheduling and large scheduling granularity existing in the existing scheduling algorithms, this article first proposes a scheduling algorithm based on time threshold and task threshold and realizes the dynamic randomness of mimic defense from two different dimensions; finally, combining time threshold and random threshold, a dynamic scheduling algorithm based on multi-level queue is proposed. The experiment shows that the dynamic scheduling algorithm based on multi-level queue can take both security and reliability into account, has better dynamic heterogeneous redundancy characteristics, and can effectively prevent the transformation rule of heterogeneous executors from being mastered by attackers.

Planetary Systems and the Hidden Symmetries of the Kepler Problem

The question of whether the solar distances of the planetary system follow a regular sequence was raised by Kepler more than 400 years ago. He could not prove his expectation, inasmuch as the planetary orbits are not transformed into each other by the regular polyhedra. In 1989, Barut proposed another relation, which was inspired by the hidden symmetry of the Kepler problem. It was found to be approximately valid for our Solar System. Here, we investigate if exoplanet systems follow this rule. We find that the symmetry-governed sequence is valid in several systems. It is very unlikely that the observed regularity is by chance; therefore, our findings give support to Kepler’s guess, although with a different transformation rule.

A Map Between Moduli Spaces of Connections

We are interested in studying moduli spaces of rank 2 logarithmic connections on elliptic curves having two poles. To do so, we investigate certain logarithmic rank 2 connections defined on the Riemann sphere and a transformation rule to lift such connections to an elliptic curve. The transformation is as follows: given an elliptic curve C with elliptic quotient, and the logarithmic connection, we may pullback the connection to the elliptic curve to obtain a new connection on C. After suitable birational modifications we bring the connection to a particular normal form. The whole transformation is equivariant with respect to bundle automorphisms and therefore defines a map between the corresponding moduli spaces of connections. The aim of this paper is to describe the moduli spaces involved and compute explicit expressions for the above map in the case where the target space is the moduli space of rank 2 logarithmic connections on an elliptic curve C with two simple poles and trivial determinant.

Dedekind sums arising from newform Eisenstein series

For primitive nontrivial Dirichlet characters [Formula: see text] and [Formula: see text], we study the weight zero newform Eisenstein series [Formula: see text] at [Formula: see text]. The holomorphic part of this function has a transformation rule that we express in finite terms as a generalized Dedekind sum. This gives rise to the explicit construction (in finite terms) of elements of [Formula: see text]. We also give a short proof of the reciprocity formula for this Dedekind sum.

Inverse-chirp imprint of gravitational wave signals in scalar tensor theory

The scalar tensor theory contains a coupling function connecting the quantities in the Jordan and Einstein frames, which is constrained to guarantee a transformation rule between frames. We simulate the supernovae core collapse with different choices of coupling functions defined over the viable region of the parameter space and find that a generic inverse-chirp feature of the gravitational waves in the scalar tensor scenario.

Formation of Unique Characteristics of Hiding and Encoding of Data Blocks Based on the Fragmented Identifier of Information Processed by Cellular Automata

Currently, the following applications of the theory of cellular automata are known: symmetric encryption, data compression, digital image processing and some others. There are also studies suggesting the possibility of building a public key system based on cellular automata, but this problem has not been solved. The purpose of the study is to develop an algorithm for hiding and encoding data blocks based on a fragmented identifier of information processed on the basis of cellular automata in the scale of binary data streams using an original method containing an public parameter in the conversion key. A mathematical model of the formation of unique data characteristics is considered, based on the use of patterns that determine the individual neighborhood of elements in cell encryption. A multi-threaded computing scheme has been developed for processing confidential data using the single-key method with a public parameter based on cellular automata and using data segmentation. To study individual chains in data blocks, a software module has been developed that allows one to evaluate the uniformity of information distribution during encryption. A variant of estimating the distribution of bits is proposed that indirectly reflects the cryptographic strength of the method. Based on the developed theoretical principles, a software module is synthesized that implements a transformation rule that takes into account the individual neighborhood of the processed element on the basis of a cellular automata. Experimental studies have shown that this modification made it possible to increase the speed of the method by up to 13 percent due to segmentation and the possibility of parallel processing of the original matrix, as well as to increase cryptographic strength due to the use of a unique chain of pseudo-random neighborhood (hereinafter referred to as PRN) defined by the transformation key. At the same time, it was possible to maintain uniformity of distribution of the output chain at the bit level and to ensure that the number of inversions was included in the confidence interval.

A study of code change patterns for adaptive maintenance with AST analysis

Example-based transformational approaches to automate adaptive maintenance changes plays an important role in software research. One primary concern of those approaches is that a set of good qualified real examples of adaptive changes previously made in the history must be identified, or otherwise the adoption of such approaches will be put in question. Unfortunately, there is rarely enough detail to clearly direct transformation rule developers to overcome the barrier of finding qualified examples for adaptive changes. This work explores the histories of several open source systems to study the repetitiveness of adaptive changes in software evolution, and hence recognizing the source code change patterns that are strongly related with the adaptive maintenance. We collected the adaptive commits from the history of numerous open source systems, then we obtained the repetitiveness frequencies of source code changes based on the analysis of Abstract Syntax Tree (AST) edit actions within an adaptive commit. Using the prevalence of the most common adaptive changes, we suggested a set of change patterns that seem correlated with adaptive maintenance. It is observed that 76.93% of the undertaken adaptive changes were represented by 12 AST code differences. Moreover, only 9 change patterns covered 64.69% to 76.58% of the total adaptive change hunks in the examined projects. The most common individual patterns are related to initializing objects and method calls changes. A correlation analysis on examined projects shows that they have very similar frequencies of the patterns correlated with adaptive changes. The observed repeated adaptive changes could be useful examples for the construction of transformation approaches